REMARK  Name = BDB023384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766  -0.406   0.342  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.465   0.384  -0.575  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.954   0.932  -1.262  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.309  -1.081   1.203  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.314  -0.622   0.509  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.927  -0.410   0.299  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        2.528   0.459  -0.711  0.00  0.00    +0.138 A 
ATOM      8  O   LIG    1        1.172   0.542  -0.780  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1        0.665  -0.289   0.182  0.00  0.00    +0.192 A 
ATOM     10  C   LIG    1        3.394   1.156  -1.550  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        4.773   0.984  -1.377  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        1.706  -0.893   0.858  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        5.186   0.105  -0.354  0.00  0.00    +0.027 A 
BRANCH   5  15
ATOM     14  C   LIG    1        4.160  -1.751   2.695  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1        4.917  -1.452   1.485  0.00  0.00    -0.335 N 
ATOM     16  C   LIG    1        5.590  -2.614   0.893  0.00  0.00    +0.129 C 
ENDBRANCH   5  15
BRANCH  11  17
ATOM     17  C   LIG    1        5.739   1.740  -2.273  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        7.063   1.144  -2.686  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        7.029   2.303  -1.730  0.00  0.00    +0.009 C 
ENDBRANCH  11  17
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1       -3.093   0.270  -0.857  0.00  0.00    +0.075 S 
ATOM     21  O   LIG    1       -3.352   1.200  -1.938  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.396  -1.137  -0.980  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.871   0.953   0.592  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1       -5.193   0.603   0.929  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.734   1.148   2.111  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.998   2.019   2.918  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.705   2.375   2.554  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.141   1.849   1.393  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.058  -0.253   0.105  0.00  0.00    -0.016 A 
ATOM     30  C   LIG    1       -6.367  -1.561   0.509  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -7.205  -2.367  -0.265  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.747  -1.875  -1.450  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.453  -0.578  -1.863  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.615   0.229  -1.089  0.00  0.00    +0.008 A 
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 6